TmH4Ir2Au
Alexandria ALEXAlex-ID: agm007490576 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_616_spg119
TmAu3 TmH6Ir Ir
2024-03-05 11:42:14.876504
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007490576).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm007490576
data_agm007490576
_cell_length_a 4.42281
_cell_length_b 4.42281
_cell_length_c 5.22481
_cell_angle_alpha 69.53970
_cell_angle_beta 69.53970
_cell_angle_gamma 97.45637
_cell_volume 85.94030
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tm1 Tm 0.98942 0.01058 0.00000 1.00000
H1 H 0.23816 0.57191 0.85918 1.00000
H2 H 0.84850 0.81984 0.68260 1.00000
H3 H 0.18016 0.15150 0.31740 1.00000
H4 H 0.42809 0.76184 0.14082 1.00000
Ir1 Ir 0.54209 0.45791 0.00000 1.00000
Ir2 Ir 0.23908 0.76092 0.50000 1.00000
Au1 Au 0.69636 0.30364 0.50000 1.00000
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